Showing entry for trans-resveratrol-5-O-glucuronide
Identification
- PhytoHub ID
- PHUB001482
- Name
- trans-resveratrol-5-O-glucuronide
- Synonyms
- resveratrol-5-O-glucuronide
- CAS Number
- Not Available
- Average Mass
- 404.371
- Monoisotopic Mass
- 404.110732224
- Chemical Formula
- C20H20O9
- IUPAC Name
- Not Available
- InChI Key
- IUVMHVVQINFMDH-OWOJBTEDSA-N
- InChI Identifier
InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-18-16(24)15(23)17(19(25)26)29-20(18)27/h1-9,15-18,20-24,27H,(H,25,26)/b2-1+
- SMILES
OC1OC(C(O)C(O)C1OC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 5
- Polar Surface Area
- 156.91
- Refractivity
- 99.46729999999998
- Polarizability
- 39.99216995623747
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6987490159427754
- pKa (strongest acidic)
- 2.969926808395444
External Links
No external links
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Piceid (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Resveratrol (trans-) | trans-resveratrol-5-O-glucuronide | rat | urine | C20H20O9 | 404.110732224 | Publications | ||
Piceid (trans-) | trans-resveratrol-5-O-glucuronide | in vitro (human) | liver | C20H20O9 | 404.110732224 | Publications |